Monomers

Ethyl vinyl ketone

Identifiers

IUPAC name
pent-1-en-3-one
InchI
InChI=1S/C5H8O/c1-3-5(6)4-2/h3H,1,4H2,2H3
InchI Key
JLIDVCMBCGBIEY-UHFFFAOYSA-N
SMILES
CCC(=O)C=C
Canonical SMILES
CCC(=O)C=C
Isomeric SMILES
CCC(=O)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C5H8O
Heavy Atom Count
6
Molecular Weight
84.118
Exact Molecular Weight
84.0575
Valence Electrons
34
Radical Electrons
0
tPSA
17.07
MolLogP
1.1515
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 14 13  0  0  0  0  0  0  0  0999 V2000
   -1.5975    0.7486    0.0067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8036   -0.3853   -0.5695 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1154   -1.0234    0.3845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2748   -2.0467    0.9889 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4546   -0.5291    0.6653 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9708    0.5386    0.1007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5682    0.7859   -0.5253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1286    1.7395   -0.1654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7958    0.5814    1.0647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2260   -0.1076   -1.4764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5523   -1.1694   -0.8768 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0645   -1.0878    1.3940 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3862    1.0858   -0.6083 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9553    0.8694    0.3340 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  1  7  1  0
  1  8  1  0
  1  9  1  0
  2 10  1  0
  2 11  1  0
  5 12  1  0
  6 13  1  0
  6 14  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers